2-piperazin-1-ylpyridin-3-amine

C9H14N4 — CID 10397358

IUPAC2-piperazin-1-ylpyridin-3-amine
SMILESNc1cccnc1N1CCNCC1
InChIInChI=1S/C9H14N4/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7,10H2
InChIKeyKZZRPCPYROZNOE-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.07
Rot. Bonds1

About 2-piperazin-1-ylpyridin-3-amine

2-piperazin-1-ylpyridin-3-amine (PubChem CID 10397358) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-piperazin-1-ylpyridin-3-amine.

Molecular Properties

Compound Name2-piperazin-1-ylpyridin-3-amine
PubChem CID10397358
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-piperazin-1-ylpyridin-3-amine
SMILESNc1cccnc1N1CCNCC1
InChIInChI=1S/C9H14N4/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7,10H2
InChIKeyKZZRPCPYROZNOE-UHFFFAOYSA-N
XLogP0.07
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpyridin-3-amine?
The IUPAC name of 2-piperazin-1-ylpyridin-3-amine (CID 10397358) is 2-piperazin-1-ylpyridin-3-amine.
What is the SMILES notation for 2-piperazin-1-ylpyridin-3-amine?
The canonical SMILES for 2-piperazin-1-ylpyridin-3-amine is Nc1cccnc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylpyridin-3-amine?
The InChIKey is KZZRPCPYROZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7,10H2.
What are the key properties of 2-piperazin-1-ylpyridin-3-amine?
2-piperazin-1-ylpyridin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpyridin-3-amine is sourced from PubChem (CID 10397358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).